In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 11th, 2008 | 17 | Yes |
Popular Name: [(3S)-1-[(5-bromo-2-fluoro-phenyl)methyl]-3-piperidyl]methanamine [(3S)-1-[(5-bromo-2-fluoro-pheny…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 2.22 | 4.68 | -44.09 | 3 | 2 | 1 | 31 | 302.211 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.22 | 6.64 | -33.96 | 3 | 2 | 1 | 30 | 302.211 | 3 | ↓ |